3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

C24H19N3O4 — CID 5330718

IUPAC3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESCn1c2ccccc2c2c3c(c4c5ccccc5n(CC(O)CO)c4c21)C(=O)NC3=O
InChIInChI=1S/C24H19N3O4/c1-26-15-8-4-2-6-13(15)17-19-20(24(31)25-23(19)30)18-14-7-3-5-9-16(14)27(10-12(29)11-28)22(18)21(17)26/h2-9,12,28-29H,10-11H2,1H3,(H,25,30,31)
InChIKeyJMYQFLAMZXRYGY-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.68
Rot. Bonds3

About 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione

3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (PubChem CID 5330718) has the molecular formula C24H19N3O4 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.

Molecular Properties

Compound Name3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
PubChem CID5330718
Molecular FormulaC24H19N3O4
Molecular Weight413.43 g/mol
Exact Mass413.14
IUPAC Name3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
SMILESCn1c2ccccc2c2c3c(c4c5ccccc5n(CC(O)CO)c4c21)C(=O)NC3=O
InChIInChI=1S/C24H19N3O4/c1-26-15-8-4-2-6-13(15)17-19-20(24(31)25-23(19)30)18-14-7-3-5-9-16(14)27(10-12(29)11-28)22(18)21(17)26/h2-9,12,28-29H,10-11H2,1H3,(H,25,30,31)
InChIKeyJMYQFLAMZXRYGY-UHFFFAOYSA-N
XLogP2.68
TPSA96.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 126565
CID 126565
CID 3815
CID 3815
CID 3501
CID 3501
CID 447446
CID 447446
CID 3387354
CID 3387354
CID 9890129
CID 9890129
CID 44178801
CID 44178801
CID 5327723
CID 5327723
CID 10503251
CID 10503251
CID 9932888
CID 9932888
CID 489122
CID 489122
CID 5327728
CID 5327728

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The IUPAC name of 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione (CID 5330718) is 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione.
What is the SMILES notation for 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The canonical SMILES for 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is Cn1c2ccccc2c2c3c(c4c5ccccc5n(CC(O)CO)c4c21)C(=O)NC3=O.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
The InChIKey is JMYQFLAMZXRYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O4/c1-26-15-8-4-2-6-13(15)17-19-20(24(31)25-23(19)30)18-14-7-3-5-9-16(14)27(10-12(29)11-28)22(18)21(17)26/h2-9,12,28-29H,10-11H2,1H3,(H,25,30,31).
What are the key properties of 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione?
3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione has a molecular weight of 413.43 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-23-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione is sourced from PubChem (CID 5330718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).